AI-based protein structure prediction in drug discovery: impacts and challenges
M Schauperl, RA Denny - Journal of Chemical Information and …, 2022 - ACS Publications
Proteins are the molecular machinery of the human body, and their malfunctioning is often
responsible for diseases, making them crucial targets for drug discovery. The three …
responsible for diseases, making them crucial targets for drug discovery. The three …
Mass spectrometry-based protein footprinting for higher-order structure analysis: fundamentals and applications
Proteins adopt different higher-order structures (HOS) to enable their unique biological
functions. Understanding the complexities of protein higher-order structures and dynamics …
functions. Understanding the complexities of protein higher-order structures and dynamics …
Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2
The trimeric SARS coronavirus (SARS-CoV) surface spike (S) glycoprotein consisting of
three S1-S2 heterodimers binds the cellular receptor angiotensin-converting enzyme 2 …
three S1-S2 heterodimers binds the cellular receptor angiotensin-converting enzyme 2 …
Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen
Middle East respiratory syndrome coronavirus (MERS-CoV) is a lineage C betacoronavirus
that since its emergence in 2012 has caused outbreaks in human populations with case …
that since its emergence in 2012 has caused outbreaks in human populations with case …
[PDF][PDF] New tools for the analysis and validation of cryo-EM maps and atomic models
PV Afonine, BP Klaholz, NW Moriarty… - … Section D: Structural …, 2018 - journals.iucr.org
Recent advances in the field of electron cryomicroscopy (cryo-EM) have resulted in a rapidly
increasing number of atomic models of biomacromolecules that have been solved using this …
increasing number of atomic models of biomacromolecules that have been solved using this …
Improvement of cryo-EM maps by simultaneous local and non-local deep learning
Cryo-EM has emerged as the most important technique for structure determination of
macromolecular complexes. However, raw cryo-EM maps often exhibit loss of contrast at …
macromolecular complexes. However, raw cryo-EM maps often exhibit loss of contrast at …
Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding
The global outbreak of SARS in 2002-2003 was caused by the infection of a new human
coronavirus SARS-CoV. The infection of SARS-CoV is mediated mainly through the viral …
coronavirus SARS-CoV. The infection of SARS-CoV is mediated mainly through the viral …
Molecular architecture of the human caveolin-1 complex
Membrane-sculpting proteins shape the morphology of cell membranes and facilitate
remodeling in response to physiological and environmental cues. Complexes of the …
remodeling in response to physiological and environmental cues. Complexes of the …
Measurement of atom resolvability in cryo-EM maps with Q-scores
Cryogenic electron microscopy (cryo-EM) maps are now at the point where resolvability of
individual atoms can be achieved. However, resolvability is not necessarily uniform …
individual atoms can be achieved. However, resolvability is not necessarily uniform …
Model building of protein complexes from intermediate-resolution cryo-EM maps with deep learning-guided automatic assembly
Advances in microscopy instruments and image processing algorithms have led to an
increasing number of cryo-electron microscopy (cryo-EM) maps. However, building accurate …
increasing number of cryo-electron microscopy (cryo-EM) maps. However, building accurate …